SCHEMBL2167752

SCHEMBL2167752

NS(=O)(=O)c1[c]ccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.40
CA9 Q16790 11/20 0.36
CA12 O43570 8/20 0.36
CA1 P00915 13/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CA3 P07451 1/20 0.34
ALOX15 P16050 1/20 0.32
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
S100A4 P26447 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2168568 0.79 SLC22A12 (0.33) S100A4
SCHEMBL10439981 0.79 CA12 (0.33) CA9CA12S100A4BCL2MCL1
SCHEMBL2777021 0.77 CA2 (0.42) CA2CA9CA12CA1CA4
SCHEMBL2170695 0.75 CA2 (0.40) CA2CA9CA12CA1CA4
SCHEMBL2168882 0.75 CA2 (0.40) CA2CA9CA12CA1CA6
SCHEMBL2169120 0.75 CA1 (0.40) CA2CA9CA12CA1CA4
SCHEMBL2000387 0.71 CA2 (0.41) CA2CA9CA12CA1
SCHEMBL6640010 0.71 CA2 (0.47) CA2CA9CA12CA1CA4
SCHEMBL11413990 0.69 CA2 (0.50) CA2CA9CA12CA1CA4
SCHEMBL8588837 0.68 CA2 (0.49) CA2CA9CA12CA1CA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4716984-B2 2011-07-06 JP claimed
EP-1809600-A4 CYCLIC B-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP claimed
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP claimed
EP-1670739-A4 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP claimed
EP-1809600-A2 CYCLIC B-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2007-07-25 EP claimed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US claimed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US claimed
US-7115646-B2 Cyclic diamines and derivatives as factor Xa inhibitors BRISTOL MYERS SQUIBB, CO. (US) 2006-10-03 US claimed
JP-2006520790-A 2006-09-14 JP claimed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 US claimed
US-20050085511-A1 Cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-04-21 US claimed
WO-2005032490-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP claimed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US claimed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD CA2 1540/4885CA9 801/4885CA12 432/4885
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT CA2 2074/4885CA9 1436/4885CA12 2445/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 CA2 1299/4885CA9 560/4885CA12 564/4885
US-20050085511-A1 Cyclic diamines and derivatives as factor Xa inhibitors TFPI, SERPINC1, F12 CA2 1302/4885CA9 490/4885CA12 679/4885
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 CA2 521/4885CA9 220/4885CA12 375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.